(E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine

C14H9ClN4O — CID 155551683

IUPAC(E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine
SMILESClc1ccc(/C=N/c2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C14H9ClN4O/c15-12-5-3-10(4-6-12)8-17-14-19-18-13(20-14)11-2-1-7-16-9-11/h1-9H/b17-8+
InChIKeyBPLKICTZHXZIOZ-CAOOACKPSA-N
MW284.71 g/mol
LogP3.54
Rot. Bonds3

About (E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine

(E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine (PubChem CID 155551683) has the molecular formula C14H9ClN4O and a molecular weight of 284.71 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine
PubChem CID155551683
Molecular FormulaC14H9ClN4O
Molecular Weight284.71 g/mol
Exact Mass284.05
IUPAC Name(E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine
SMILESClc1ccc(/C=N/c2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C14H9ClN4O/c15-12-5-3-10(4-6-12)8-17-14-19-18-13(20-14)11-2-1-7-16-9-11/h1-9H/b17-8+
InChIKeyBPLKICTZHXZIOZ-CAOOACKPSA-N
XLogP3.54
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
CID 853396
2-(4-Chlorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 740480
2-chloro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4058147
3-chloro-N-[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4226990
3-[5-(3-Phenyl-allylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 1581526
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pyridinecarboxamide
CID 1246952
3-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 740478
N-(3-chlorophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 856145
2-[(4-Chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 662339
1,3,4-Oxadiazole, 2-amino-5-(3-pyridyl)-
CID 21940
1,3,4-Oxadiazol-2-amine, N-phenyl-5-(3-pyridinyl)-
CID 3041662
2,5-Bis(3-pyridyl)-1,3,4-oxadiazole
CID 98903

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine (CID 155551683) is (E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine is Clc1ccc(/C=N/c2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine?
The InChIKey is BPLKICTZHXZIOZ-CAOOACKPSA-N. The full InChI is InChI=1S/C14H9ClN4O/c15-12-5-3-10(4-6-12)8-17-14-19-18-13(20-14)11-2-1-7-16-9-11/h1-9H/b17-8+.
What are the key properties of (E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine?
(E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine has a molecular weight of 284.71 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine is sourced from PubChem (CID 155551683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).